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Fulimetibant

CAT: 0607-BA5204-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-BA5204-5Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2231142-90-6
Form
A solid
Molecular Formula
C25H21F4N3O3
Molecular Weight
487.45
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Fulimetibant

Fulimetibant is a small molecule drug. The usage of the INN stem '-tibant' in the name indicates that Fulimetibant is a bradykinin receptor antagonist. Fulimetibant has a monoisotopic molecular weight of 487.15 Da.

CAS Number2231142-90-6
PubChem CID135150671
IUPAC Name2-(1-cyclobutylpyrazol-4-yl)-5-[[1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzoic acid
Molecular FormulaC25H21F4N3O3
Molecular Weight487.4
XLogP4.3
Topological Polar Surface Area84.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count35
Formal Charge0
Complexity816
SMILES
C1CC(C1)N2C=C(C=N2)C3=C(C=C(C=C3)NC(=O)C4(CC4)C5=C(C=C(C=C5)C(F)(F)F)F)C(=O)O
InChI
InChI=1S/C25H21F4N3O3/c26-21-10-15(25(27,28)29)4-7-20(21)24(8-9-24)23(35)31-16-5-6-18(19(11-16)22(33)34)14-12-30-32(13-14)17-2-1-3-17/h4-7,10-13,17H,1-3,8-9H2,(H,31,35)(H,33,34)
InChIKey
DFQFSWDEFZCQLH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fulimetibant
CAS: 2231142-90-6
CID: 135150671
Formula: C25H21F4N3O3
MW: 487.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight487.4
XLogP34.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass487.15190419
Monoisotopic Mass487.15190419
Topological Polar Surface Area84.2 Ų
Heavy Atom Count35
Formal Charge0
Complexity816
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5805915Fulimetibant

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